SCHEMBL30122281

SCHEMBL30122281

CC[S@@](=N)(=O)c1cc(C(C)(C)C#N)cnc1-c1nc2cc(C(F)(F)F)ncc2n1C

nearest known ligand 0.35

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ S1PR1 P21453 2/20 0.35
▸ PIK3CD O00329 1/20 0.31
▸ PIK3CA P42336 1/20 0.31
▸ MTOR P42345 1/20 0.31
▸ PIK3CG P48736 1/20 0.31
▸ LRRK2 Q5S007 1/20 0.30

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL30122278 1.00 S1PR1 (0.35) S1PR1PIK3CDPIK3CAMTORPIK3CG
SCHEMBL30122279 1.00 S1PR1 (0.35) S1PR1PIK3CDPIK3CAMTORPIK3CG
SCHEMBL30122214 1.00 S1PR1 (0.35) S1PR1PIK3CDPIK3CAMTORPIK3CG
SCHEMBL24695535 1.00 S1PR1 (0.35) S1PR1PIK3CDPIK3CAMTORPIK3CG
SCHEMBL24314118 0.91 S1PR1 (0.34) S1PR1PIK3CDPIK3CAMTORPIK3CG
SCHEMBL29904281 0.91 S1PR1 (0.34) S1PR1PIK3CDPIK3CAMTORPIK3CG
SCHEMBL24695964 0.85 S1PR1 (0.33) S1PR1
SCHEMBL30122047 0.85 S1PR1 (0.33) S1PR1
SCHEMBL30122113 0.85 S1PR1 (0.33) S1PR1
SCHEMBL24696107 0.84 POLB (0.42) PIK3CDPIK3CAMTORPIK3CGLRRK2

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4347591-A1 PESTICIDALLY ACTIVE HETEROCYCLIC DERIVATIVES WITH SULFOXIMINE CONTAINING SUBSTITUENTS Syngenta Crop Protection AG (CH) 2024-04-10 — — EP disclosed
WO-2022253841-A1 PESTICIDALLY ACTIVE HETEROCYCLIC DERIVATIVES WITH SULFOXIMINE CONTAINING SUBSTITUENTS SYNGENTA CROP PROTECTION AG (CH) 2022-12-08 — — WO disclosed
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